4XK1

Crystal Structure of a Phosphoserine/phosphohydroxythreonine Aminotransferase (PSAT) from Pseudomonas aeruginosa with cofactor Pyridoxal Phosphate and bound Glutamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	72.220, 72.220, 268.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.741 - 2.150
R-factor	0.1813
Rwork	0.179
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.111
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.044	0.018	0.543
Rmeas	0.048	0.019	0.584
Total number of observations	328897
Number of reflections	45360	557	3294
<I/σ(I)>	26.24	60.45	3.54
Completeness [%]	99.9	91.5	100
Redundancy	7.3		7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	PsaeA.00980.a.B1.PW37585 at 22 mg/ml mixed 1:1 with Morpheus(g9): 10% PEG-20,000, 20% PEG-MME-550, 0.1M bicine/ trizma base, pH=8.5, 0.02M each sodium formate, ammonium acetate, trisodium citrate, sodium potassium L-tartrate, sodium oxamate